6-tert-butyl-2,3-dihydro-1H-indol-2-ol

C12H17NO — CID 146620775

IUPAC6-tert-butyl-2,3-dihydro-1H-indol-2-ol
SMILESCC(C)(C)c1ccc2c(c1)NC(O)C2
InChIInChI=1S/C12H17NO/c1-12(2,3)9-5-4-8-6-11(14)13-10(8)7-9/h4-5,7,11,13-14H,6H2,1-3H3
InChIKeyKJOTVRYTFCXKKD-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.27
Rot. Bonds

About 6-tert-butyl-2,3-dihydro-1H-indol-2-ol

6-tert-butyl-2,3-dihydro-1H-indol-2-ol (PubChem CID 146620775) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 6-tert-butyl-2,3-dihydro-1H-indol-2-ol.

Molecular Properties

Compound Name6-tert-butyl-2,3-dihydro-1H-indol-2-ol
PubChem CID146620775
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name6-tert-butyl-2,3-dihydro-1H-indol-2-ol
SMILESCC(C)(C)c1ccc2c(c1)NC(O)C2
InChIInChI=1S/C12H17NO/c1-12(2,3)9-5-4-8-6-11(14)13-10(8)7-9/h4-5,7,11,13-14H,6H2,1-3H3
InChIKeyKJOTVRYTFCXKKD-UHFFFAOYSA-N
XLogP2.27
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2,3-dihydro-1H-indol-2-ol?
The IUPAC name of 6-tert-butyl-2,3-dihydro-1H-indol-2-ol (CID 146620775) is 6-tert-butyl-2,3-dihydro-1H-indol-2-ol.
What is the SMILES notation for 6-tert-butyl-2,3-dihydro-1H-indol-2-ol?
The canonical SMILES for 6-tert-butyl-2,3-dihydro-1H-indol-2-ol is CC(C)(C)c1ccc2c(c1)NC(O)C2.
What is the InChIKey of 6-tert-butyl-2,3-dihydro-1H-indol-2-ol?
The InChIKey is KJOTVRYTFCXKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-12(2,3)9-5-4-8-6-11(14)13-10(8)7-9/h4-5,7,11,13-14H,6H2,1-3H3.
What are the key properties of 6-tert-butyl-2,3-dihydro-1H-indol-2-ol?
6-tert-butyl-2,3-dihydro-1H-indol-2-ol has a molecular weight of 191.27 g/mol, XLogP of 2.27, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2,3-dihydro-1H-indol-2-ol is sourced from PubChem (CID 146620775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).